Vitas-M small molecule compound

methyl [(2E)-5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate

Catalog ID
STL049604
SMILES COC(=O)/N=c/1\[nH]nc(s1)c1ccc(cc1)C(C)(C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C14H17N3O2S MW 291.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17N3O2S/c1-14(2,3)10-7-5-9(6-8-10)11-16-17-12(20-11)15-13(18)19-4/h5-8H,1-4H3,(H,15,17,18)
InChIKey
WNZFYOYGBODKMI-UHFFFAOYSA-N
Synonyms
714241-27-7
714241277
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)OC
COC(=O)N=c1(nH)nc(s1)c1ccc(cc1)C(C)(C)C
InChI=1SC14H17N3O2Sc114(23)10759(6810)11161712(2011)1513(18)194h58H14H3(H151718)
methyl((2E)5(4tertbutylphenyl)134thiadiazol2(3H)ylidene)carbamate
METHYL(5(4TERTBUTYLPHENYL)134THIADIAZOL2YL)CARBAMATE
METHYLN(5(4TERTBUTYLPHENYL)134THIADIAZOL2YL)CARBAMATE
MFCD05729680
ZINC000017209257
ZINC02405039
ZINC17209257

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.